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Dactinomycin

Dactinomycin

SCHEMBL20770348

C=CC=O.Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O.NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2ncnc(N)c12

nearest known ligand 0.70

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 3/20 0.70
▸ MAPT P10636 3/20 0.70
▸ RECQL P46063 2/20 0.70
▸ SMN1; SMN2 Q16637 2/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ HTT P42858 2/20 0.70
▸ ABCB11 O95342 1/20 0.70
▸ CYP3A4 P08684 1/20 0.70
▸ ALOX15 P16050 1/20 0.70
▸ PTGS1 P23219 1/20 0.70
▸ CASP1 P29466 1/20 0.70
▸ BLM P54132 1/20 0.70
▸ CASP7 P55210 1/20 0.70
▸ KMT2A Q03164 1/20 0.70
▸ HIF1A Q16665 1/20 0.70
▸ DDR2 Q16832 1/20 0.70
▸ NGLY1 Q96IV0 1/20 0.70
▸ HSD17B10 Q99714 1/20 0.70
▸ NPC1 O15118 1/20 0.30
▸ GALR3 O60755 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Dactinomycin SCHEMBL1901167 0.86 GRB2 (0.75) GRB2MAPTRECQLSMN1; SMN2ALDH1A1
Dactinomycin SCHEMBL26186613 0.84 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ALDH1A1
Dactinomycin SCHEMBL27304406 0.84 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ALDH1A1
Dactinomycin SCHEMBL6939686 0.84 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ALDH1A1
Dactinomycin SCHEMBL13659669 0.84 GRB2 (1.00) GRB2MAPTRECQLSMN1; SMN2ALDH1A1
Dactinomycin SCHEMBL28168861 0.83 GRB2 (0.99) GRB2MAPTRECQLSMN1; SMN2ALDH1A1
Dactinomycin SCHEMBL28161860 0.83 GRB2 (0.98) GRB2MAPTRECQLSMN1; SMN2ALDH1A1
SCHEMBL21090962 0.82 GRB2 (0.94) GRB2MAPTRECQLSMN1; SMN2ALDH1A1
Dactinomycin SCHEMBL5322559 0.81 GRB2 (0.67) GRB2MAPTRECQLSMN1; SMN2ALDH1A1
SCHEMBL17920644 0.81 GRB2 (0.94) GRB2MAPTRECQLSMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019046303-A1 A METHOD FOR PREDICTING A SUBJECT'S RESPONSE TO SLC MODULATOR THERAPY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2019-03-07 — — WO disclosed